Synthesis, crystal structure, DFT study and photocatalytic property of a new Ni(II) complex of a symmetric N2O4-donor bis-Schiff base ligand

• One new Ni(II) complex with the sexidentate (N2O4) bis-Schiff base ligand was synthesized.
• The crystal structure of the Ni(II) complex was determined.
• DFT study including FMO, MEP and HOMO-LUMO energy gap analysis was described.
• The photocatalytic activities of the Ni(II) complex for the degradation of MB, RhB and MV were screened.

A new complex, Ni(C22H26N2O10S2)·2CH3OH, with a sexidentate (N2O4) symmetric bis-Schiff base ligand (C22H26N2O10S2 = 1,2-bis(2-methoxy-6-formylphenoxy)ethane-2-aminoethane-sulfonic acid) has been synthesized and characterized by physico-chemical and spectroscopic methods. The X-ray crystal structure shows that the Ni(II) atom of the complex is six-coordinated by two nitrogens from CN groups, two oxygens from ether groups and two hydroxyl oxygens from sulfonic acid groups in the mono-ligand, forming a distorted octahedral geometry. Theoretical study of the complex is carried out by density functional theory (DFT) method and the B3LYP method employing the 6-3l+G* basis set. Moreover, the complex proved to be good candidate for the photocatalytic degradation of methylene blue.

The main characterization, DFT study and photocatalytic property of the Ni(II) complex.Figure optionsDownload as PowerPoint slide